6-[rel-(3aR,6aR)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[rel-(3aR,6aR)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[rel-(3aR,6aR)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SB55-1241 |
| Compound Name: | 6-[rel-(3aR,6aR)-3a-(5-ethyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrole-2(1H)-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)c1nc(CC)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6878 |
| logD: | 2.6878 |
| logSw: | -3.1764 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.678 |
| InChI Key: | KBMWNIWKJCHHMX-BLVKFPJESA-N |